Monomers

1-(Ethenyloxy)-3-methylbenzene

Identifiers

IUPAC name
1-ethenoxy-3-methylbenzene
InchI
InChI=1S/C9H10O/c1-3-10-9-6-4-5-8(2)7-9/h3-7H,1H2,2H3
InchI Key
ZBUCIAUZAGKZOS-UHFFFAOYSA-N
SMILES
C=COc1cccc(c1)C
Canonical SMILES
CC1=CC(=CC=C1)OC=C
Isomeric SMILES
CC1=CC(=CC=C1)OC=C
Resources
cid=

Structures

2D Structure
3D Structure

Molecular Formula and Computed Descriptors

Molecular Formula
C9H10O
Heavy Atom Count
10
Molecular Weight
134.178
Exact Molecular Weight
134.0732
Valence Electrons
52
Radical Electrons
0
tPSA
9.23
MolLogP
2.5173
H Bond Acceptors
1
H Bond Donors
0
Aliphatic Carbocycles
0
Aromatic Carbocycles
1
Aliphatic Heterocycles
0
Aromatic Heterocycles
0
Aliphatic Rings
0
Aromatic Rings
1

MOL File


     RDKit          3D

 20 20  0  0  0  0  0  0  0  0999 V2000
    3.5966    0.9619    0.1394 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6400    0.6697   -0.7189 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9508   -0.5209   -0.6301 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6294   -0.6555   -0.3041 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0998   -1.9316   -0.2620 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2318   -2.1225    0.0626 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0769   -1.0667    0.3540 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5450    0.2059    0.3111 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2190    0.3957   -0.0122 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4193    1.3619    0.6171 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8449    0.2548    0.9271 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1483    1.8862    0.0891 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4092    1.3844   -1.4925 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7334   -2.7796   -0.4846 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5998   -3.1446    0.0820 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1150   -1.2306    0.6059 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2118    1.3829   -0.0500 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1143    1.4922   -0.2435 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8610    2.2923    0.7469 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0824    1.1640    1.5051 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  3
  2  3  1  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  2  0
  8 10  1  0
  9  4  1  0
  1 11  1  0
  1 12  1  0
  2 13  1  0
  5 14  1  0
  6 15  1  0
  7 16  1  0
  9 17  1  0
 10 18  1  0
 10 19  1  0
 10 20  1  0
M  END

Similar Monomers

Structure
Similarity
IUPAC name
MF
Copolymers